4FQ9
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-11-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9919 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.790, 135.780, 111.010 |
Unit cell angles | 90.00, 108.82, 90.00 |
Refinement procedure
Resolution | 105.075 - 2.020 |
R-factor | 0.1878 |
Rwork | 0.187 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.490 |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 105.075 | 105.075 | 2.070 |
High resolution limit [Å] | 2.016 | 9.020 | 2.020 |
Rmerge | 0.041 | 0.477 | |
Total number of observations | 4959 | 28543 | |
Number of reflections | 133404 | ||
<I/σ(I)> | 8.5 | 11.9 | 1.5 |
Completeness [%] | 98.6 | 98.2 | 98.3 |
Redundancy | 3.2 | 3.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 18% PEG 3350, 0.12M Sodium Potassium Phosphate, 6.4% Hexanediol,100mM Sodium citrate pH 4.5, vapour diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP |